(3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C48H66Br2N10O5Si2 — CID 159331055

About (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

(3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 159331055) has the molecular formula C48H66Br2N10O5Si2 and a molecular weight of 1079.10 g/mol. Its IUPAC name is (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 159331055
• Molecular Formula: C48H66Br2N10O5Si2
• Molecular Weight: 1079.10 g/mol
• Exact Mass: 1076.31
• IUPAC Name: (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2nc(Br)cnc21.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.N[C@@H]1CCN(Cc2ccccc2)C1
• InChI: InChI=1S/C24H32BrN5O2Si.C13H18BrN3O3Si.C11H16N2/c1-33(2,3)12-11-32-17-30-16-20(22-23(30)26-13-21(25)28-22)24(31)27-19-9-10-29(15-19)14-18-7-5-4-6-8-18;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4-8,13,16,19H,9-12,14-15,17H2,1-3H3,(H,27,31);6-7H,4-5,8H2,1-3H3,(H,18,19);1-5,11H,6-9,12H2/t19-;;11-/m1.1/s1
• InChIKey: LEZAOKUVTSCDHH-PEGAFDDHSA-N
• XLogP: 8.93
• TPSA: 178.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.10
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 159331055) is (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2nc(Br)cnc21.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.N[C@@H]1CCN(Cc2ccccc2)C1.

What is the InChIKey of (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is LEZAOKUVTSCDHH-PEGAFDDHSA-N. The full InChI is InChI=1S/C24H32BrN5O2Si.C13H18BrN3O3Si.C11H16N2/c1-33(2,3)12-11-32-17-30-16-20(22-23(30)26-13-21(25)28-22)24(31)27-19-9-10-29(15-19)14-18-7-5-4-6-8-18;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4-8,13,16,19H,9-12,14-15,17H2,1-3H3,(H,27,31);6-7H,4-5,8H2,1-3H3,(H,18,19);1-5,11H,6-9,12H2/t19-;;11-/m1.1/s1.

What are the key properties of (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

(3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1079.10 g/mol, XLogP of 8.93, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 159331055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).